CID 807772

1087715-00-1

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CCOC(=O)C1=C(N=C(S1)NC2=CC=CC=C2)C
InChI
InChI=1S/C13H14N2O2S/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
VQXNEYSGMWEITA-UHFFFAOYSA-N
Compound name
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

262.0776 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 158.4
[M+Na]+ 285.066818 166.7
[M-H]- 261.070324 164.6
[M+NH4]+ 280.111423 176.1
[M+K]+ 301.040758 163.1
[M+H-H2O]+ 245.074860 151.0
[M+HCOO]- 307.075801 178.2
[M+CH3COO]- 321.091451 195.8
[M+Na-2H]- 283.052266 159.4
[M]+ 262.07705142 162.3
[M]- 262.07814858 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe